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Rozprawy doktorskie na temat "Weakly Bound Molecules/Complexes"

1

Low, Russell John. "High resolution spectroscopy of weakly bound molecular complexes." Thesis, University of Oxford, 1995. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.296861.

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Roehrig, Mark August. "Microwave measurements on transition metal and weakly bound molecular complexes." Diss., The University of Arizona, 1993. http://hdl.handle.net/10150/186164.

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High resolution microwave spectra for the transition metal compounds cobalt tri-carbonyl nitrosyl (Co(CO)₃NO), cyclopentadienyl cobalt di-carbonyl (CpCo(CO)₂), and cyclopentadienyl manganese tri-carbonyl (CpMn(CO)₃) were obtained for the first time using pulsed beam Fourier transform spectroscopy. An oblate symmetric top spectrum was measured for Co(CO)₃NO and the first gas phase value of the cobalt nuclear quadrupole coupling parameter was obtained. The asymmetric top hindered rotor spectrum for CpCo(CO)₂ was measured and a barrier to internal rotation was estimated from the spectrum. Analysi
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Goodwin, E. J. "An investigation of the rotational spectra of weakly bound complexes." Thesis, University of Exeter, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.373819.

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Lv, Dingding <1992&gt. "Non-covalent interactions in weakly bound molecular complexes: a high-resolution rotational spectroscopy study." Doctoral thesis, Alma Mater Studiorum - Università di Bologna, 2022. http://amsdottorato.unibo.it/10095/7/Dingding%20Lv%20Thesis%202022-03-21.pdf.

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My research interests during my doctoral years have been focused on high resolution rotational studies of molecules and weakly bound molecular complexes. Information on the molecular structure, internal motions and intermolecular interactions that can be obtained by applying suitable theoretical models to the analysis of these unusually complex spectra allows the determination and understanding of the driving forces involved in formation of the molecular complex. In this way, many types of non-covalent interactions have been characterized, from pure van der Waals interactions in complexes of r
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5

López, José G. "Theoretical studies of the dynamics and spectroscopy of weakly bound systems." The Ohio State University, 2005. http://rave.ohiolink.edu/etdc/view?acc_num=osu1127220592.

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Brown, D. F. R. "Quantum simulations of weakly bound molecules." Thesis, University of Cambridge, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.597004.

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This thesis is concerned with the computational simulation of weakly bound molecules. Two general methods of producing potential energy surfaces, Neural Networks and Gaussian processes, are described and evaluated. The Neural Network method is used to generate potential functions for HF-HCI, H<SUB>2</SUB>-HF and H<SUB>2</SUB>-HCI from good quality <I>ab initio </I>data. These surfaces are used by the diffusion Monte Carlo algorithm to solve the vibrational Schrödinger equation for the ground state of the above clusters. In addition, the DMC method is used in a size selective study of the N<SUP
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Krause, Paul James. "Vibrational predissociation in weakly bound molecules." Thesis, University College London (University of London), 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.313784.

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Peebles, Sean Andrew. "Weakly bound complexes : experiments and models." Thesis, University of Exeter, 1995. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.294475.

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Tantirungrotechai, Yuthana. "Theoretical studies of weakly bound complexes." Thesis, University of Cambridge, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.624299.

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Skouteris, Dimitris. "Structure and dynamics of weakly bound complexes." Thesis, University of Oxford, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.301422.

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